SCHEMBL5176148

SCHEMBL5176148

C=COC(C)=O.CCCC/C(C(=O)O)=C(\CCCC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.46
FNTB P49356 3/20 0.46
THRB P10828 1/20 0.46
PGGT1B P53609 1/20 0.46
CES1 P23141 2/20 0.36
CES2 O00748 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 6/20 0.35
HPGD P15428 1/20 0.35
AKR1B1 P15121 1/20 0.33
TP53 P04637 1/20 0.33
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 0.32
HDAC11 Q96DB2 5/20 0.32
GPR84 Q9NQS5 4/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
PTPN1 P18031 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5176150 1.00 FNTA (0.46) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL5905495 0.93 FNTA (0.56) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL5905497 0.93 FNTA (0.56) FNTAFNTBTHRBPGGT1BALDH1A1
Valeric Acid SCHEMBL27259958 0.85 AKR1B1 (0.50) ALDH1A1TSHRAKR1B1PPARGPPARD
SCHEMBL2991157 0.84 FNTA (0.37) FNTAFNTBTHRBPGGT1BCES1
Valeric Acid SCHEMBL27918896 0.84 AKR1B1 (0.48) ALDH1A1TSHRAKR1B1PPARGPPARD
Hexane SCHEMBL3257416 0.82 ALDH1A1 (0.44) THRBCES1CES2ALDH1A1TSHR
SCHEMBL11599006 0.81 FNTA (0.39) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL7146706 0.81 APEX1 (0.35) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL27261760 0.81 TSHR (0.46) CES1CES2ALDH1A1TSHRHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4287236-A BY COATING WITH A POLYMER EMULSION APOLLO TECHNOLOGIES, INC. (US) 1981-09-01 US claimed
EP-1814403-A1 PEELABLE FOOD COATING DSMIP Assets B.V. (NL) 2007-08-08 EP disclosed
WO-2006056561-A1 PEELABLE FOOD COATING DSM IP ASSETS B.V. (NL) 2006-06-01 WO disclosed
US-5326573-A Carrier particles for plant pesticides and herbicides, adhesives BAYER AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed
US-4287236-A BY COATING WITH A POLYMER EMULSION APOLLO TECHNOLOGIES, INC. (US) 1981-09-01 US disclosed